| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2368480
Max Phase: Preclinical
Molecular Formula: C19H30O6
Molecular Weight: 354.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1[C@@H](CCCC(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Standard InChI: InChI=1S/C19H30O6/c1-11-7-8-14-12(2)15(5-4-6-16(20)21)22-17-19(14)13(11)9-10-18(3,23-17)24-25-19/h11-15,17H,4-10H2,1-3H3,(H,20,21)/t11-,12-,13+,14+,15-,17-,18+,19-/m1/s1
Standard InChI Key: WEWYKNVABULCLM-WGCHMBTQSA-N
Associated Targets(non-human)
Gallus gallus 1187 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 354.44 | Molecular Weight (Monoisotopic): 354.2042 | AlogP: 3.49 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.22 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.99 | CX Basic pKa: | CX LogP: 3.82 | CX LogD: 0.66 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: 3.15 |
References
| 1. Jung M, Tak J, Chung WY, Park KK.. (2006) Antiangiogenic activity of deoxoartemisinin derivatives on chorioallantoic membrane., 16 (5): [PMID:16380253] [10.1016/j.bmcl.2005.11.074] |
Source
Source(1):